SCHEMBL2383024

SCHEMBL2383024

[c]1ccccc1C1CCC(N2CCOCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.43
MAOB P27338 1/20 0.43
OPRL1 P41146 2/20 0.43
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
L3MBTL3 Q96JM7 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MBTD1 Q05BQ5 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
IRAK4 Q9NWZ3 3/20 0.36
ABL1 P00519 1/20 0.36
LCK P06239 1/20 0.36
LYN P07948 1/20 0.36
MET P08581 1/20 0.36
PDGFRB P09619 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28000245 0.83 KDM1A (0.37) KDM1AMAOBOPRL1HRH3L3MBTL3
SCHEMBL1443184 0.80 LMNA (0.35) SMN1; SMN2
SCHEMBL28096462 0.80 SLC18A3 (0.56) OPRL1CYP2D6CYP2C19CYP2C9HRH3
SCHEMBL28876897 0.80 SLC18A3 (0.51) OPRL1CYP2D6CYP2C19HRH3L3MBTL3
SCHEMBL5313779 0.78 IRAK4 (0.42) KDM1AMAOBOPRL1CYP3A4CYP2C9
SCHEMBL28770195 0.78 HRH3 (0.44) KDM1AMAOBOPRL1CYP2D6CYP2C19
SCHEMBL24524 0.78
SCHEMBL5790547 0.76 HPGD (0.44) CYP2D6CYP2C19L3MBTL3L3MBTL1MBTD1
SCHEMBL27709432 0.76 CYP2D6 (0.65) KDM1AMAOBOPRL1CYP2D6CYP2C19
SCHEMBL2466664 0.74 HRH3 (0.50) KDM1AMAOBOPRL1CYP2D6CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2686313-B1 BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2016-02-03 EP disclosed
EP-2545047-B9 HETEROCYCLIC INHIBITORS OF GLUTAMINYL CYCLASE (QC, EC 2.3.2.5) PROBIODRUG AG (DE) 2015-06-10 EP disclosed
EP-2545047-B1 HETEROCYCLIC INHIBITORS OF GLUTAMINYL CYCLASE (QC, EC 2.3.2.5) PROBIODRUG AG (DE) 2014-04-23 EP disclosed
EP-2686313-A1 BENZ IMIDAZOLE DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE Probiodrug AG (DE) 2014-01-22 EP disclosed
US-8530670-B2 Inhibitors PROBIODRUG AG (DE) 2013-09-10 US disclosed
US-8420828-B2 Inhibitors PROBIODRUG AG (DE) 2013-04-16 US disclosed
EP-2545047-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINYL CYCLASE (QC, EC 2.3.2.5) Probiodrug AG (DE) 2013-01-16 EP disclosed
US-20120283259-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2012-11-08 US disclosed
US-20120237475-A1 Novel Inhibitors PROBIODRUG AG (DE) 2012-09-20 US disclosed
WO-2012123563-A1 BENZ IMIDAZOLE DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2012-09-20 WO disclosed
US-8269019-B2 Inhibitors PROBIODRUG AG (DE) 2012-09-18 US disclosed
WO-2011110613-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINYL CYCLASE (QC, EC 2.3.2.5) PROBIODRUG AG (DE) 2011-09-15 WO disclosed
US-20110224254-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-09-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110224254-A1 NOVEL INHIBITORS GLUL, QPCT, GLS KDM1A 932/4885MAOB 1094/4885OPRL1 3644/4885
US-20120237475-A1 Novel Inhibitors GLS, NQO2, GLS2 KDM1A 1924/4885MAOB 1800/4885OPRL1 3522/4885
US-20120283259-A1 NOVEL INHIBITORS GLUL, QPCT, GLS KDM1A 932/4885MAOB 1094/4885OPRL1 3644/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.